1,328
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Phenix: Difference between revisions
m
cosmetic
m (add phenix.reduce, occupancy, mailing list) |
m (cosmetic) |
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phenix.refine model.pdb data.mtz all_ligands.cif ... | phenix.refine model.pdb data.mtz all_ligands.cif ... | ||
== Occupancy refinement | == Occupancy refinement == | ||
Adding "occupancy" to the "strategy" options will refine the occupancies of those parts of the model that have alternate conformations. | Adding "occupancy" to the "strategy" options will refine the occupancies of those parts of the model that have alternate conformations. | ||
| Line 50: | Line 50: | ||
Manual specification of NCS groups: | Manual specification of NCS groups: | ||
phenix.refine data.hkl model.pdb ncs_groups.params main.ncs=True | phenix.refine data.hkl model.pdb ncs_groups.params main.ncs=True | ||
where ncs_groups.params contains: | where ncs_groups.params contains e.g.: | ||
refinement.ncs.restraint_group { | refinement.ncs.restraint_group { | ||
reference = chain A | reference = chain A | ||
| Line 74: | Line 74: | ||
[http://www.phenix-online.org/ Phenix home page] | [http://www.phenix-online.org/ Phenix home page] | ||
[http://www.phenix-online.org/pipermail/phenixbb/ Phenix mailing list] | [http://www.phenix-online.org/pipermail/phenixbb/ Phenix mailing list] | ||